Cellular automata modeling of polymer nanocomposite deformation using parallel computing

Abstract

A mathematical model has been developed for the deformation of a polymer nanocomposite containing hard and soft inclusions. For the model to be designed, an algorithm for generating the structure based on the cellular automaton has been used. The polymer structures with different filler content have been obtained and numerical modeling of the strain-strength properties have been carried out. The optimal composition of the polymer nanocomposite has been determined. An example of parallel computing for implementing the calculation tasks has been given. The content of the hard filler has been found to be in the range 50–80% and the soft one was in the range of 0–12%. Micro- and macroparameters of the polymer nanocomposite have been determined. The best nanocomposite have been found to contain 77% of the hard inclusions, 6–10% of the soft inclusions (polymer modifier), and 13–17% of the polymer matrix. The calculation results have been compared with the experimental data.